Structure of PDB 8hgw Chain B Binding Site BS01

Receptor Information
>8hgw Chain B (length=286) Species: 330218 (Gordonia sp. P8219) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FHTVDVKGVQTRYFDDGQDKDPILLIHGGHFGFFIPVGIESWGNVLEDFG
EYGRVLAVDKLGQGETGLPLNDEDWTVDAVAEHVANFATQLGLKNLTLVG
HSRGGMTAVLLALKYPEMVKKLVIISSATAAPAPPVGTDMDFYERVERTA
PSAELIRHYHAAQAVNEGDLPEDYIGIATKWLESEKQLDAVAGYARNAEE
HWLPSLSEGRRWVQERLADAGIPVPTLVVWGVNNRSAPVSMGKGLFDLIA
ANTLDSSLYLINNAGHHVFSDQREKFNAAVGAFISL
Ligand information
Ligand IDPHT
InChIInChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKeyXNGIFLGASWRNHJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)c1ccccc1C(O)=O
ACDLabs 10.04O=C(O)c1ccccc1C(=O)O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)C(=O)O
FormulaC8 H6 O4
NamePHTHALIC ACID
ChEMBLCHEMBL1045
DrugBankDB02746
ZINCZINC000000090750
PDB chain8hgw Chain B Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8hgw Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Resolution2.80001 Å
Binding residue
(original residue number in PDB)		S125 R126 S150 A151 T152 D162 Y166 H291
Binding residue
(residue number reindexed from 1)		S102 R103 S127 A128 T129 D139 Y143 H266
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:8hgw, PDBe:8hgw, PDBj:8hgw
PDBsum8hgw
PubMed36859434
UniProtQ2MHH5

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